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2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester
SpectraBase Compound ID GB49ASKWu5P
InChI InChI=1S/C13H22O5/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h8-10H,6-7H2,1-5H3/t9-,10+/m1/s1
InChIKey JEFQIIXBSQLRTF-ZJUUUORDSA-N
Mol Weight 258.31 g/mol
Molecular Formula C13H22O5
Exact Mass 258.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Armgz8Ux3an
Name 2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid tert-butyl ester
Alternate Name(s) tert-Butyl 2-[(4R,6S)-6-formyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate tert-Butyl 2-[(4R,6S)-6-methanoyl-2,2-dimethyl-1,3-dioxan-4-yl]ethanoate
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Formula C13H22O5
InChI InChI=1S/C13H22O5/c1-12(2,3)18-11(15)7-9-6-10(8-14)17-13(4,5)16-9/h8-10H,6-7H2,1-5H3/t9-,10+/m1/s1
InChIKey JEFQIIXBSQLRTF-ZJUUUORDSA-N
Molecular Weight 258.314 g/mol
SMILES C1(O[C@@](CC(OC(C)(C)C)=O)(C[C@](O1)(C=O)[H])[H])(C)C
SPLASH splash10-0a4i-9210000000-023656450de64cec9760
Source of Spectrum AT-34-516-2
Wiley ID 852400